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[ CAS No. 69604-00-8 ]

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2D
Chemical Structure| 69604-00-8
Chemical Structure| 69604-00-8
Structure of 69604-00-8 *Storage: {[proInfo.prStorage]}

Quality Control of [ 69604-00-8 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 69604-00-8 ]

SDS

Product Details of [ 69604-00-8 ]

CAS No. :69604-00-8MDL No. :MFCD00275272
Formula :C11H9NO5Boiling Point :359.7°C at 760 mmHg
Linear Structure Formula :-InChI Key :ATHBGWVHAWGMAL-UHFFFAOYSA-N
M.W :235.19Pubchem ID :1382954
Synonyms :

Computed Properties of [ 69604-00-8 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 69604-00-8 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 69604-00-8 ]

  • Downstream synthetic route of [ 69604-00-8 ]

[ 69604-00-8 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 685-87-0 ]
  • [ 97-51-8 ]
  • [ 69604-00-8 ]
YieldReaction ConditionsOperation in experiment
95.2% With potassium carbonate; In N,N-dimethyl-formamide; at 85 - 90℃; for 15h;Inert atmosphere; Example-1: Preparation of ethyl 5-nitro-l-benzofuran-2-carboxylate To a solution of DMF (400ml), K2C03 powder (124. lg) and 5-nitro salicylaldehyde (lOOg) was slowly added Diethyl bromomalonate (171.7g) at 30-40C under Nitrogen atmosphere. The reaction mixture was stirred at 85-90C under Nitrogen atmosphere for 15 hours. Cool the reaction mix to 80-85C. Cyclohexane (500ml) was added to the reaction mix at 70-85C within 1 hour and then stirred the reaction mix at 80-85C for 15-30 minutes. The reaction mixture was cooled to 15-20C and process water (1000ml) was added to the reaction mixture at 15-20C within 1 hour. The reaction mixture was stirred at 20-30C for 1-2 hour and then the solid was filtered and washed with process water (100mlx5). Dried at 55-60C. for 8-10 hours. Yield: 95.2%
95.2% With potassium carbonate; In N,N-dimethyl-formamide; at 30 - 90℃; for 15h;Inert atmosphere; To a solution of DMF (400 ml), K2CO3 powder (124.1 g) and 5-nitro salicylaldehyde (100 g) was slowly added Diethyl bromomalonate (171.7 g) at 30-40 C. under Nitrogen atmosphere. The reaction mixture was stirred at 85-90 C. under Nitrogen atmosphere for 15 hours. Cool the reaction mix to 80-85 C. Cyclohexane (500 ml) was added to the reaction mix at 70-85 C. within 1 hour and then stirred the reaction mix at 80-85 C. for 15-30 minutes. The reaction mixture was cooled to 15-20 C. and process water (1000 ml) was added to the reaction mixture at 15-20 C. within 1 hour. The reaction mixture was stirred at 20-30 C. for 1-2 hour and then the solid was filtered and washed with process water (100 ml*5). Dried at 55-60 C. for 8-10 hours. Yield: 95.2%
  • 2
  • [ 69604-00-8 ]
  • [ 267644-49-5 ]
YieldReaction ConditionsOperation in experiment
With sodium methylate; formamide; In 1-methyl-pyrrolidin-2-one; at 20 - 25℃; for 2h; Ethyl 5-nitro-l-benzofuran-2-carboxylate (100 g) was added to N-methyl pyrollidone (250 mL) at 20C to 25C. A solution of formamide (57.4 g) in N-methyl pyrollidone (250 mL) was added to the reaction mixture. A solution of 30% sodium methoxide (230 g) was added to the reaction mixture over 1 hour at 20C to 25C. The reaction mixture was stirred at 20C to 25 C for 1 hour. The temperature of the reaction mixture was increased to 30C to 35C. Deionized water (3 L) was added to the reaction mixture at 30C to 35 C for 1 hour. The reaction mixture was filtered and washed with deionized water (500 mL x 6) to obtain the title compound.
  • 3
  • [ 75-03-6 ]
  • disilver salt of/the/ α-bromo-5-nitro-coumaric acid [ No CAS ]
  • [ 69604-00-8 ]
  • 4
  • [ 64-17-5 ]
  • 5-nitro-coumarilic acid [ No CAS ]
  • [ 69604-00-8 ]
  • 5
  • [ 69604-00-8 ]
  • [ 98-80-6 ]
  • ethyl 5-(phenylsulfonamido)benzofuran-2-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
93% With potassium pyrosulfite; tetrabutyl-ammonium chloride; potassium carbonate; In acetonitrile; at 130℃; for 24h;Sealed tube; Add 142 mg of the above nitroaromatics to the dry sealed tube,146 mg of phenylboronic acid, and 460 mg of K2S2O5 , 166 mg of potassium carbonate, 184 mg of tetrabutylammonium chloride and 3 mL of acetonitrile, then tighten the screw cap of the tube, and react at 130 C. for 24 h.After the reaction, it was filtered through celite, concentrated, and passed through a silica gel column to obtain 193 mg of the product with a yield of 93%.
  • 6
  • [ 69604-00-8 ]
  • C13H12N2O6 [ No CAS ]
  • 7
  • [ 69604-00-8 ]
  • C39H37N7O9 [ No CAS ]
  • 8
  • [ 69604-00-8 ]
  • C18H19N5O5 [ No CAS ]
  • 9
  • [ 69604-00-8 ]
  • C18H17N5O7 [ No CAS ]
  • 10
  • [ 69604-00-8 ]
  • [ 849433-24-5 ]
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